Chemical ID: 4506125

Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccccc3)S2
Chemical ID:
4506125
Name [?]:
2-phenylimino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccccc3)S2
InChi [?]:
InChI=1/C17H14N2OS/c1-12-7-9-13(10-8-12)11-15-16(20)19-17(21-15)18-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,3,7,4,6,8,2,5,15,9,10,13,14,12,11,21/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCCCCONCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.226
Area:486.357
Solvation:-1.9329
Coulombic:-30.404
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:294.372
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.53
LogP (Chemaxon):4.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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